Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL1131249 | 0.94 | TSHR (0.40) | TSHRACHEALDH1A1CA12CA1 | |
| Acetic Acid SCHEMBL8656682 | 0.93 | MEN1 (0.41) | TSHRALDH1A1MEN1THRBHTT | |
| Pyruvate SCHEMBL1132233 | 0.93 | TSHR (0.36) | TSHRACHEALDH1A1CA12CA1 | |
| Oxalic Acid SCHEMBL1131170 | 0.92 | TSHR (0.39) | TSHRACHEALDH1A1CA12CA1 | |
| Glycolic Acid SCHEMBL1131485 | 0.91 | TSHR (0.38) | TSHRACHEALDH1A1CA12CA1 | |
| Propionic Acid SCHEMBL1131227 | 0.91 | TSHR (0.38) | TSHRACHEALDH1A1CA12CA1 | |
| SCHEMBL43803 | 0.90 | TSHR (0.46) | TSHRACHEALDH1A1CA12CA1 | |
| Methacrylic Acid SCHEMBL9138342 | 0.90 | TSHR (0.39) | TSHRACHEALDH1A1CA12CA1 | |
| Succinic Acid SCHEMBL1132248 | 0.89 | AKR1B1 (0.42) | TSHRALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1132203 | 0.88 | TSHR (0.44) | TSHRACHEALDH1A1CA12CA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8784686-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2014-07-22 | — | — | US | claimed |
| EP-1805131-B1 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | INNOVIA FILMS LTD (GB) | 2011-02-16 | — | — | EP | claimed |
| US-20070185330-A1 | Liquids | THE UNIVERSITY OF YORK (GB) | 2007-08-09 | — | — | US | claimed |
| US-9328220-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2016-05-03 | — | — | US | disclosed |
| US-8992798-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2015-03-31 | — | — | US | disclosed |
| US-8784686-B2 | Liquids | INNOVIA FILMS LIMITED (GB) | 2014-07-22 | — | — | US | disclosed |
| US-20140187684-A1 | LIQUIDS | INNOVIA FILMS LIMITED (GB) | 2014-07-03 | — | — | US | disclosed |
| US-20110257433-A1 | LIQUIDS | THE UNIVERSITY OF YORK (GB) | 2011-10-20 | — | — | US | disclosed |
| EP-2322497-A1 | Ionic liquids comprising nitrogen containing cations | Innovia Films Limited (GB) | 2011-05-18 | — | — | EP | disclosed |
| EP-1805131-B1 | IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS | INNOVIA FILMS LTD (GB) | 2011-02-16 | — | — | EP | disclosed |
| CN-101316810-A | Ionic liquids | BIONIQS LTD (GB) | 2008-12-03 | — | — | CN | disclosed |
| US-20080221361-A1 | Ionic Liquids | BIONIQS LIMITED (GB) | 2008-09-11 | — | — | US | disclosed |
| US-20080191170-A1 | Use of Ionic Liquids | CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) | 2008-08-14 | — | — | US | disclosed |
| US-20070185330-A1 | Liquids | THE UNIVERSITY OF YORK (GB) | 2007-08-09 | — | — | US | disclosed |
| EP-1804969-A2 | USE OF IONIC LIQUIDS | CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006038013-A2 | USE OF IONIC LIQUIDS | CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) | 2006-04-13 | — | — | WO | disclosed |